CID 68157

Oxazoline

Structural Information

Molecular Formula
C3H5NO
SMILES
C1COC=N1
InChI
InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2
InChIKey
IMSODMZESSGVBE-UHFFFAOYSA-N
Compound name
4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

323
References

156765
Patents

71.03712 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.044396 107.6
[M+Na]+ 94.026338 115.5
[M-H]- 70.029844 110.3
[M+NH4]+ 89.070943 130.8
[M+K]+ 110.00028 117.3
[M+H-H2O]+ 54.034380 102.2
[M+HCOO]- 116.03532 131.4
[M+CH3COO]- 130.05097 157.2
[M+Na-2H]- 92.011786 117.4
[M]+ 71.036571 106.7
[M]- 71.037669 106.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe